N-carbamoyl-2-methylbenzamide

C9H10N2O2 — CID 3040255

IUPACN-carbamoyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(N)=O
InChIInChI=1S/C9H10N2O2/c1-6-4-2-3-5-7(6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyRRFQRXIPPVDHEQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.80
Rot. Bonds1

About N-carbamoyl-2-methylbenzamide

N-carbamoyl-2-methylbenzamide (PubChem CID 3040255) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-carbamoyl-2-methylbenzamide.

Molecular Properties

Compound NameN-carbamoyl-2-methylbenzamide
PubChem CID3040255
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-carbamoyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(N)=O
InChIInChI=1S/C9H10N2O2/c1-6-4-2-3-5-7(6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyRRFQRXIPPVDHEQ-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-methylbenzamide?
The IUPAC name of N-carbamoyl-2-methylbenzamide (CID 3040255) is N-carbamoyl-2-methylbenzamide.
What is the SMILES notation for N-carbamoyl-2-methylbenzamide?
The canonical SMILES for N-carbamoyl-2-methylbenzamide is Cc1ccccc1C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-methylbenzamide?
The InChIKey is RRFQRXIPPVDHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-4-2-3-5-7(6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13).
What are the key properties of N-carbamoyl-2-methylbenzamide?
N-carbamoyl-2-methylbenzamide has a molecular weight of 178.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-methylbenzamide is sourced from PubChem (CID 3040255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).